SCHEMBL19784088

SCHEMBL19784088

CCC(NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCC(O)C3)ccc2c1=O)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ABL1 P00519 11/20 0.35
MAPK8 P45983 2/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD17B10 Q99714 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22591000 0.94 KMT2A (0.37) KMT2AABL1MAPK8ALDH1A1TSHR
SCHEMBL19784087 0.92 ALDH1A1 (0.35) KMT2AALDH1A1TSHRPOLBMEN1
SCHEMBL19784203 0.91 KMT2A (0.37) KMT2AABL1MAPK8ALDH1A1POLB
SCHEMBL19783567 0.90 IRAK4 (0.38) KMT2AALDH1A1TSHRPOLBIRAK4
SCHEMBL21220086 0.90 IRAK4 (0.38) KMT2AALDH1A1TSHRPOLBIRAK4
SCHEMBL22591922 0.90 ALDH1A1 (0.35) KMT2AMAPK8ALDH1A1TSHRPOLB
SCHEMBL22590974 0.90 KMT2A (0.37) KMT2AABL1MAPK8IRAK4
SCHEMBL19783947 0.89 ALDH1A1 (0.35) KMT2AALDH1A1TSHRPOLBMEN1
SCHEMBL21220044 0.89 ALDH1A1 (0.35) KMT2AALDH1A1TSHRPOLBMEN1
SCHEMBL21220038 0.88 KMT2A (0.39) KMT2AALDH1A1TSHRPOLBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
WO-2018011017-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed